(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

C22H15F2NO3 — CID 51860434

IUPAC(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O
InChIInChI=1S/C22H15F2NO3/c23-16-8-5-13(6-9-16)20-12-15-11-14(7-10-17(15)22(27)28-20)21(26)25-19-4-2-1-3-18(19)24/h1-11,20H,12H2,(H,25,26)/t20-/m1/s1
InChIKeyORNJFCFFVIWUIY-HXUWFJFHSA-N
MW379.36 g/mol
LogP4.67
Rot. Bonds3

About (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (PubChem CID 51860434) has the molecular formula C22H15F2NO3 and a molecular weight of 379.36 g/mol. Its IUPAC name is (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
PubChem CID51860434
Molecular FormulaC22H15F2NO3
Molecular Weight379.36 g/mol
Exact Mass379.10
IUPAC Name(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O
InChIInChI=1S/C22H15F2NO3/c23-16-8-5-13(6-9-16)20-12-15-11-14(7-10-17(15)22(27)28-20)21(26)25-19-4-2-1-3-18(19)24/h1-11,20H,12H2,(H,25,26)/t20-/m1/s1
InChIKeyORNJFCFFVIWUIY-HXUWFJFHSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845116
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
(3R)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497276
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660653
(3R)-N-benzyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860442
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42100272
N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845126
(3S)-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660641
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 17015460
(3R)-N-(2-ethoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7463702
methyl 2-[[(3S)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carbonyl]amino]benzoate
CID 42100283
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (CID 51860434) is (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O.
What is the InChIKey of (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is ORNJFCFFVIWUIY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H15F2NO3/c23-16-8-5-13(6-9-16)20-12-15-11-14(7-10-17(15)22(27)28-20)21(26)25-19-4-2-1-3-18(19)24/h1-11,20H,12H2,(H,25,26)/t20-/m1/s1.
What are the key properties of (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 51860434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).